[2,3,5-trifluoro-6-(1-fluoro-1-hydroxyethyl)-4-sulfanylphenyl] hypofluorite

C8H5F5O2S — CID 141441205

IUPAC[2,3,5-trifluoro-6-(1-fluoro-1-hydroxyethyl)-4-sulfanylphenyl] hypofluorite
SMILESCC(O)(F)c1c(F)c(S)c(F)c(F)c1OF
InChIInChI=1S/C8H5F5O2S/c1-8(12,14)2-3(9)7(16)5(11)4(10)6(2)15-13/h14,16H,1H3
InChIKeyRJTPAUZXJAOHLA-UHFFFAOYSA-N
MW260.18 g/mol
LogP2.79
Rot. Bonds2

About [2,3,5-trifluoro-6-(1-fluoro-1-hydroxyethyl)-4-sulfanylphenyl] hypofluorite

[2,3,5-trifluoro-6-(1-fluoro-1-hydroxyethyl)-4-sulfanylphenyl] hypofluorite (PubChem CID 141441205) has the molecular formula C8H5F5O2S and a molecular weight of 260.18 g/mol. Its IUPAC name is [2,3,5-trifluoro-6-(1-fluoro-1-hydroxyethyl)-4-sulfanylphenyl] hypofluorite.

Molecular Properties

Compound Name[2,3,5-trifluoro-6-(1-fluoro-1-hydroxyethyl)-4-sulfanylphenyl] hypofluorite
PubChem CID141441205
Molecular FormulaC8H5F5O2S
Molecular Weight260.18 g/mol
Exact Mass259.99
IUPAC Name[2,3,5-trifluoro-6-(1-fluoro-1-hydroxyethyl)-4-sulfanylphenyl] hypofluorite
SMILESCC(O)(F)c1c(F)c(S)c(F)c(F)c1OF
InChIInChI=1S/C8H5F5O2S/c1-8(12,14)2-3(9)7(16)5(11)4(10)6(2)15-13/h14,16H,1H3
InChIKeyRJTPAUZXJAOHLA-UHFFFAOYSA-N
XLogP2.79
TPSA29.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.18
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2,3,5-trifluoro-6-(1-fluoro-1-hydroxyethyl)-4-sulfanylphenyl] hypofluorite?
The IUPAC name of [2,3,5-trifluoro-6-(1-fluoro-1-hydroxyethyl)-4-sulfanylphenyl] hypofluorite (CID 141441205) is [2,3,5-trifluoro-6-(1-fluoro-1-hydroxyethyl)-4-sulfanylphenyl] hypofluorite.
What is the SMILES notation for [2,3,5-trifluoro-6-(1-fluoro-1-hydroxyethyl)-4-sulfanylphenyl] hypofluorite?
The canonical SMILES for [2,3,5-trifluoro-6-(1-fluoro-1-hydroxyethyl)-4-sulfanylphenyl] hypofluorite is CC(O)(F)c1c(F)c(S)c(F)c(F)c1OF.
What is the InChIKey of [2,3,5-trifluoro-6-(1-fluoro-1-hydroxyethyl)-4-sulfanylphenyl] hypofluorite?
The InChIKey is RJTPAUZXJAOHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F5O2S/c1-8(12,14)2-3(9)7(16)5(11)4(10)6(2)15-13/h14,16H,1H3.
What are the key properties of [2,3,5-trifluoro-6-(1-fluoro-1-hydroxyethyl)-4-sulfanylphenyl] hypofluorite?
[2,3,5-trifluoro-6-(1-fluoro-1-hydroxyethyl)-4-sulfanylphenyl] hypofluorite has a molecular weight of 260.18 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3,5-trifluoro-6-(1-fluoro-1-hydroxyethyl)-4-sulfanylphenyl] hypofluorite is sourced from PubChem (CID 141441205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).